1-cyclopentyl-4-[(R)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium

C22H30N6S+2 — CID 7205379

IUPAC1-cyclopentyl-4-[(R)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium
SMILESc1ccc([C@H](c2nnnn2Cc2cccs2)[NH+]2CC[NH+](C3CCCC3)CC2)cc1
InChIInChI=1S/C22H28N6S/c1-2-7-18(8-3-1)21(22-23-24-25-28(22)17-20-11-6-16-29-20)27-14-12-26(13-15-27)19-9-4-5-10-19/h1-3,6-8,11,16,19,21H,4-5,9-10,12-15,17H2/p+2/t21-/m1/s1
InChIKeyKOWCBGMLPKRVKM-OAQYLSRUSA-P
MW410.59 g/mol
LogP0.60
Rot. Bonds6

About 1-cyclopentyl-4-[(R)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium

1-cyclopentyl-4-[(R)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium (PubChem CID 7205379) has the molecular formula C22H30N6S+2 and a molecular weight of 410.59 g/mol. Its IUPAC name is 1-cyclopentyl-4-[(R)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium.

Molecular Properties

Compound Name1-cyclopentyl-4-[(R)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium
PubChem CID7205379
Molecular FormulaC22H30N6S+2
Molecular Weight410.59 g/mol
Exact Mass410.22
IUPAC Name1-cyclopentyl-4-[(R)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium
SMILESc1ccc([C@H](c2nnnn2Cc2cccs2)[NH+]2CC[NH+](C3CCCC3)CC2)cc1
InChIInChI=1S/C22H28N6S/c1-2-7-18(8-3-1)21(22-23-24-25-28(22)17-20-11-6-16-29-20)27-14-12-26(13-15-27)19-9-4-5-10-19/h1-3,6-8,11,16,19,21H,4-5,9-10,12-15,17H2/p+2/t21-/m1/s1
InChIKeyKOWCBGMLPKRVKM-OAQYLSRUSA-P
XLogP0.60
TPSA52.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.59
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-cyclopentyl-4-[(R)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium with MolForge

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Related Compounds

1-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine-1,4-diium
CID 7391551
1-cyclopentyl-4-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium
CID 7397408
1,4-bis[(S)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 98111414
1-benzyl-4-[(1S)-2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazine-1,4-diium
CID 7397082
1-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine-1,4-diium
CID 7391651
4-[(S)-(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholin-4-ium
CID 7140876
1-cyclohexyl-4-[(S)-(2-fluorophenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine-1,4-diium
CID 7396111
1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperazine-1,4-diium
CID 7383860
1-[(R)-(1-benzyltetrazol-5-yl)-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-ium
CID 7436538
1-cyclopentyl-4-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperazine-1,4-diium
CID 7391340
1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine-1,4-diium
CID 7383044
1-[(S)-(4-chlorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]-4-cyclohexylpiperazine
CID 1448484

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[(R)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium?
The IUPAC name of 1-cyclopentyl-4-[(R)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium (CID 7205379) is 1-cyclopentyl-4-[(R)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium.
What is the SMILES notation for 1-cyclopentyl-4-[(R)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium?
The canonical SMILES for 1-cyclopentyl-4-[(R)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium is c1ccc([C@H](c2nnnn2Cc2cccs2)[NH+]2CC[NH+](C3CCCC3)CC2)cc1.
What is the InChIKey of 1-cyclopentyl-4-[(R)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium?
The InChIKey is KOWCBGMLPKRVKM-OAQYLSRUSA-P. The full InChI is InChI=1S/C22H28N6S/c1-2-7-18(8-3-1)21(22-23-24-25-28(22)17-20-11-6-16-29-20)27-14-12-26(13-15-27)19-9-4-5-10-19/h1-3,6-8,11,16,19,21H,4-5,9-10,12-15,17H2/p+2/t21-/m1/s1.
What are the key properties of 1-cyclopentyl-4-[(R)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium?
1-cyclopentyl-4-[(R)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium has a molecular weight of 410.59 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[(R)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium is sourced from PubChem (CID 7205379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).